#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000

* xyz 1 1
  C          -0.98029800191012     -3.12337195803283     -1.09831636315433
  C           0.13650132629675     -3.37041151561450     -0.29388994743294
  C           0.49226691782734     -2.41139774525092      0.64498592105791
  C          -0.26092739342383     -1.24541006122688      0.79574057918052
  C          -1.35211655048080     -1.00173115632051     -0.03227606131578
  C          -1.71888255921764     -1.95653447309389     -0.97046194081879
  H           1.34819700679213     -2.58684964309447      1.29022597844112
  H          -1.92159996602740     -0.08322673302115      0.06208030453016
  H          -2.58009428762496     -1.78756850979324     -1.60610158616223
  C           0.14720546604979     -0.20151461761404      1.84964296743443
  H          -0.71472735748854      0.28120596433752      2.30129723013542
  H           0.76824429184068     -0.66777315964257      2.61377825180399
  H           1.89050682929280      0.23273677490580      0.64868310706232
  C           0.55985262631551      1.85920708470355      0.36232189351775
  C           1.42896643551539      2.42078876020961     -0.60687409838170
  C          -0.62555916745173      2.55177688614410      0.71951498818255
  C           1.12348800583642      3.62512402705369     -1.20006284479760
  H           2.33474756534817      1.88810968881587     -0.87600442638899
  C          -0.92122351011427      3.75343452410124      0.12314778145570
  H          -1.29216450691217      2.14122781765858      1.46721397601501
  C          -0.04928588121158      4.28471551626567     -0.83415564137140
  H           1.78382950894839      4.05768387330820     -1.94117868049658
  H          -1.82082022866354      4.29272150871642      0.39271246850629
  H          -0.29097989319101      5.23464850431084     -1.29904630758869
  C           0.93006668168408      0.64545007482423      0.95098284946868
  H          -1.27141776928849     -3.86145462296438     -1.83858681063010
  C           0.91306238946145     -4.65224818820259     -0.43714384757044
  H           1.82411842077072     -4.63655096890828      0.16210098490432
  H           1.18922530512825     -4.82307637997602     -1.47977656580892
  H           0.30827458589818     -5.50253495259910     -0.11262812977770
*

